7-Methoxychroman-2-one
PubChem CID: 12389837
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| Compound Synonyms | 7-Methoxychroman-2-one, 20921-02-2, 2H-1-Benzopyran-2-one, 3,4-dihydro-7-methoxy-, 7-Methoxychromanon, 7-Methoxy-chroman-2-one, 7-Methoxy-3,4-dihydrocoumarin, SCHEMBL5861959, 7-Methoxychromanone, AldrichCPR, MFCD08144067, 7-methoxy-3,4-dihydrochromen-2-one, AKOS006284488, SY364495, CS-0436535, G61530 |
|---|---|
| Topological Polar Surface Area | 35.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 202.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-methoxy-3,4-dihydrochromen-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.6 |
| Molecular Formula | C10H10O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | JHGVLAHJJNKSAW-UHFFFAOYSA-N |
| Fcsp3 | 0.3 |
| Logs | -3.193 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.965 |
| Compound Name | 7-Methoxychroman-2-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 178.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 178.063 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 178.18 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.234597861538461 |
| Inchi | InChI=1S/C10H10O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2,4,6H,3,5H2,1H3 |
| Smiles | COC1=CC2=C(CCC(=O)O2)C=C1 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Calliandra Eriophylla (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Corydalis Thalictrifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Phytolacca Thyrsiflora (Plant) Rel Props:Source_db:cmaup_ingredients